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7270-61-3 | 2,4(1H,3H)-Quinolinedione, 3-diazo-
CAS No: 7270-61-3 Catalog No: AG005FMP MDL No:
Product Description
Catalog Number:
AG005FMP
Chemical Name:
2,4(1H,3H)-Quinolinedione, 3-diazo-
CAS Number:
7270-61-3
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
3-diazonio-4-oxo-1H-quinolin-2-olate
InChI:
InChI=1S/C9H5N3O2/c10-12-7-8(13)5-3-1-2-4-6(5)11-9(7)14/h1-4H,(H-,11,13,14)
InChI Key:
OWMLOOQBSDKYRL-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C(=O)Nc2c(C1=O)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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